(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol

C14H25ClO — CID 138977954

IUPAC(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol
SMILESC=C(CCl)C[C@H](O)C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C14H25ClO/c1-11(2)6-5-7-12(3)8-14(16)9-13(4)10-15/h6,12,14,16H,4-5,7-10H2,1-3H3/t12-,14+/m0/s1
InChIKeyZZVGBABXEUVAAN-GXTWGEPZSA-N
MW244.81 g/mol
LogP4.30
Rot. Bonds8

About (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol

(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol (PubChem CID 138977954) has the molecular formula C14H25ClO and a molecular weight of 244.81 g/mol. Its IUPAC name is (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol.

Molecular Properties

Compound Name(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol
PubChem CID138977954
Molecular FormulaC14H25ClO
Molecular Weight244.81 g/mol
Exact Mass244.16
IUPAC Name(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol
SMILESC=C(CCl)C[C@H](O)C[C@@H](C)CCC=C(C)C
InChIInChI=1S/C14H25ClO/c1-11(2)6-5-7-12(3)8-14(16)9-13(4)10-15/h6,12,14,16H,4-5,7-10H2,1-3H3/t12-,14+/m0/s1
InChIKeyZZVGBABXEUVAAN-GXTWGEPZSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 153333928
(2S)-1-(3-chlorocyclohex-3-en-1-yl)-5-fluoro-2-methylheptan-1-ol
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CID 11030809
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(6S,7S)-7,11-dimethyldodec-10-en-6-ol
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CID 71362284
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CID 134895902

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol?
The IUPAC name of (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol (CID 138977954) is (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol.
What is the SMILES notation for (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol?
The canonical SMILES for (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol is C=C(CCl)C[C@H](O)C[C@@H](C)CCC=C(C)C.
What is the InChIKey of (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol?
The InChIKey is ZZVGBABXEUVAAN-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H25ClO/c1-11(2)6-5-7-12(3)8-14(16)9-13(4)10-15/h6,12,14,16H,4-5,7-10H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol?
(4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol has a molecular weight of 244.81 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-2-(chloromethyl)-6,10-dimethylundeca-1,9-dien-4-ol is sourced from PubChem (CID 138977954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).